Geometry & MOs

Info

ID:	282462
PubChem CID:	103928162
Reduced:	FIN2O3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	288.150764
ΔH_f, kcal/mol:	-156.98
Dipole, Da:	3.65
IP(EA), eV:	-9.44(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[(2-methylthiolan-2-yl)methylcarbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)NC1=C(C=C(C=C1)F)I

DOS

IR

Vibrations